SCHEMBL4966688

SCHEMBL4966688

N[C@H]1CCCN(P(N)(=O)NC(=O)/C=C/c2ccccc2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.50
HPGD P15428 2/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4987917 1.00 DPP4 (0.50) DPP4HPGDDRD2HTR2AHTR2C
SCHEMBL4967906 0.82 DPP4 (0.55) DPP4SMN1; SMN2HTTALDH1A1
SCHEMBL4967227 0.79 DPP4 (0.52) DPP4DRD2SMN1; SMN2KMT2ANPC1
SCHEMBL4967596 0.78 DPP4 (0.51) DPP4SIGMAR1SMN1; SMN2KMT2AMEN1
SCHEMBL4963531 0.78 DPP4 (0.56) DPP4CYP3A4SMN1; SMN2BCHEKMT2A
SCHEMBL4965255 0.76 DPP4 (0.54) DPP4HPGDKMT2AMAPTNPC1
SCHEMBL4965397 0.75 DPP4 (0.62) DPP4CYP3A4MAPT
SCHEMBL4963970 0.74 DPP4 (0.51) DPP4HPGDCYP3A4SMN1; SMN2HDAC1
SCHEMBL4966011 0.73 DPP4 (0.53) DPP4SMN1; SMN2HDAC1HDAC8HDAC6
SCHEMBL4965485 0.73 DPP4 (0.53) DPP4SIGMAR1KMT2ANPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1489088-B1 NOVEL ALPHA-AMINO-N-(DIAMINOPHOSPHINYL)LACTAM DERIVATIVE NIPPON KAYAKU KK (JP) 2008-08-13 EP disclosed
US-7348318-B2 α-Amino-N-(diaminophosphinyl)lactam derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-03-25 US disclosed
US-20050164989-A1 Novel $g(a)-amino-n-(diaminophosphinyl) lactam derivative NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2005-07-28 US disclosed
EP-1489088-A1 NOVEL ALPHA-AMINO-N-(DIAMINOPHOSPHINYL)LACTAM DERIVATIVE Nippon Kayaku Kabushiki Kaisha (JP) 2004-12-22 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050164989-A1 Novel $g(a)-amino-n-(diaminophosphinyl) lactam derivative DNPEP, PEPD, ANPEP DPP4 8/4885HPGD 1191/4885DRD2 4086/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.